| SpectraBase Compound ID | KmzpQjS30oy |
|---|---|
| InChI | InChI=1S/C16H12O3/c17-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)19-16(13)18/h1-9,13H,10H2 |
| InChIKey | YCJKUZAVMIULSV-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C16H12O3 |
| Exact Mass | 252.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9mqrITKR89x |
|---|---|
| Name | 3-Benzoylhydroucoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.078644243 u |
| Formula | C16H12O3 |
| InChI | InChI=1S/C16H12O3/c17-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)19-16(13)18/h1-9,13H,10H2 |
| InChIKey | YCJKUZAVMIULSV-UHFFFAOYSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | C1=C(C(C2CC3=C(C=CC=C3)OC2=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.962701 |